SCHEMBL5070037

SCHEMBL5070037

C=CC(=O)OC1(C)COC(C)(CC)O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28922608 0.84 TSHR (0.37) TSHR
SCHEMBL27975507 0.83 HPGD (0.31) TSHRHPGD
SCHEMBL27759961 0.79 TSHR (0.34) TSHRALDH1A1
SCHEMBL27817020 0.77 TSHR (0.36) TSHRHPGD
SCHEMBL21373895 0.77
SCHEMBL28040563 0.76 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4
SCHEMBL30170457 0.73 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4
SCHEMBL16383074 0.72 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4
SCHEMBL21829139 0.71 TSHR (0.33) TSHRHPGD
SCHEMBL27909880 0.71 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249756-A Ink composition for inkjet, light conversion layer, and color filter DIC株式会社 2023-06-09 CN disclosed
JP-2008203588-A RADIATION-SENSITIVE RESIN COMPOSITION, SPACER, ITS MANUFACTURING METHOD, AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORP 2008-09-04 JP disclosed